1,12-BENZOPERYLENE

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210)1987,p. 56. , Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 , World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210)1983,p. 195. . EPA Genetic Toxicology Program.

For occupational chemical analysis use NIOSH: Polynuclear Aromatic Hydrocarbons (HPLC), 5506; (GC), 5515.

Benzo[ghi]perylene is an organic compound with the formula C₂₂H₁₂, and its systematic name is the same with the product name. With the CAS registry number 191-24-2, it is also named as 1,12-Benzoperylene. It belongs to the product categories of A-B Alphabetic; Alpha Sort; B; BA - BH Environmental Standards; PAHs; Volatiles/ Semivolatiles; A-B Analytical Standards; Aromatics Alphabetic; BA - BH Chemical Class; Chemical Class; Hydrocarbons; Neats Analytical Standards; PAHs Environmental Standards. Its EINECS number is 205-883-8. In addition, the molecular weight is 276.33. Its classification codes are: (1)Mutation data; (2)Tumor data. It should be sealed and stored.

Physical properties of Benzo[ghi]perylene are: (1)ACD/LogP: 6.646; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.65; (4)ACD/LogD (pH 7.4): 6.65; (5)ACD/BCF (pH 5.5): 66261.88 ; (6)ACD/BCF (pH 7.4): 66261.88; (7)ACD/KOC (pH 5.5): 98319.91; (8)ACD/KOC (pH 7.4): 98319.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 2.009; (13)Molar Refractivity: 100.833 cm³; (14)Molar Volume: 200.407 cm³; (15)Polarizability: 39.973×10^-24cm³; (16)Surface Tension: 74.24 dyne/cm; (17)Density: 1.379 g/cm³; (18)Flash Point: 247.24 °C; (19)Enthalpy of Vaporization: 74.055 kJ/mol; (20)Boiling Point: 500.998 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Benzo[ghi]perylene: this chemical can be prepared by 1-(2,2-diethoxy-ethyl)-perylene. This reaction will need reagents 3-peryleneacetaldehyde diethyl acetal, conc. H₂SO₄ and solvent methanol with the reaction time of 30 min. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable and is irritating to skin. It has a limited evidence of a carcinogenic effect. This substance is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It is harmful as it may cause lung damage if swallowed. Its vapours may cause drowsiness and dizziness. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes and you need to wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet. If swallowed, it will not induce vomiting, but you need to seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2ccc3ccc4ccc5cccc6c5c4c3c2c6c1
(2)Std. InChI: InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
(3)Std. InChIKey: GYFAGKUZYNFMBN-UHFFFAOYSA-N